9RKM
Crystal structure of [FeFe]-hydrogenase CbA5H from Clostridium beijerinckii in Hinact state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-12-09 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 167.885, 167.885, 125.679 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.660 - 1.960 |
| R-factor | 0.184 |
| Rwork | 0.184 |
| R-free | 0.20410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.892 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.660 | 2.010 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.227 | 4.796 |
| Rmeas | 0.229 | 4.840 |
| Rpim | 0.031 | 0.653 |
| Number of reflections | 128057 | 8978 |
| <I/σ(I)> | 13.3 | 0.6 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 54.3 | 54.4 |
| CC(1/2) | 0.999 | 0.389 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 296 | 0.1 M HEPES pH 7.3 0.2 M MgCl2 34 % (w/v) PEG 400 |
